1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide

C16H14N6O2S — CID 146652751

IUPAC1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)C3(C#N)CC3)nc12
InChIInChI=1S/C16H14N6O2S/c1-22-7-9(5-19-22)10-6-18-13(24-2)11-12(10)25-15(20-11)21-14(23)16(8-17)3-4-16/h5-7H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyJYWCLHKJZFSQMX-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.34
Rot. Bonds4

About 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide

1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 146652751) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID146652751
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)C3(C#N)CC3)nc12
InChIInChI=1S/C16H14N6O2S/c1-22-7-9(5-19-22)10-6-18-13(24-2)11-12(10)25-15(20-11)21-14(23)16(8-17)3-4-16/h5-7H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyJYWCLHKJZFSQMX-UHFFFAOYSA-N
XLogP2.34
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide (CID 146652751) is 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide is COc1ncc(-c2cnn(C)c2)c2sc(NC(=O)C3(C#N)CC3)nc12.
What is the InChIKey of 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is JYWCLHKJZFSQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-22-7-9(5-19-22)10-6-18-13(24-2)11-12(10)25-15(20-11)21-14(23)16(8-17)3-4-16/h5-7H,3-4H2,1-2H3,(H,20,21,23).
What are the key properties of 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide?
1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146652751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).